4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium

C10H13Hf- — CID 175778554

IUPAC4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium
SMILESCC1=[C-]C(C)C2=C1CCC2.[Hf]
InChIInChI=1S/C10H13.Hf/c1-7-6-8(2)10-5-3-4-9(7)10;/h7H,3-5H2,1-2H3;/q-1;
InChIKeyLFUMQDRWCGIQPY-UHFFFAOYSA-N
MW311.70 g/mol
LogP2.86
Rot. Bonds

About 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium

4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium (PubChem CID 175778554) has the molecular formula C10H13Hf- and a molecular weight of 311.70 g/mol. Its IUPAC name is 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium.

Molecular Properties

Compound Name4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium
PubChem CID175778554
Molecular FormulaC10H13Hf-
Molecular Weight311.70 g/mol
Exact Mass313.05
IUPAC Name4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium
SMILESCC1=[C-]C(C)C2=C1CCC2.[Hf]
InChIInChI=1S/C10H13.Hf/c1-7-6-8(2)10-5-3-4-9(7)10;/h7H,3-5H2,1-2H3;/q-1;
InChIKeyLFUMQDRWCGIQPY-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium?
The IUPAC name of 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium (CID 175778554) is 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium.
What is the SMILES notation for 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium?
The canonical SMILES for 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium is CC1=[C-]C(C)C2=C1CCC2.[Hf].
What is the InChIKey of 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium?
The InChIKey is LFUMQDRWCGIQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.Hf/c1-7-6-8(2)10-5-3-4-9(7)10;/h7H,3-5H2,1-2H3;/q-1;.
What are the key properties of 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium?
4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium has a molecular weight of 311.70 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,3,4,5-tetrahydro-1H-pentalen-5-ide;hafnium is sourced from PubChem (CID 175778554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).